Molecule FYI-1002078

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A

Molecule Summary:

ID: FYI-1002078
Names:
InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N
SMILES: O=C(Cl)c1cccc(C(=O)Cl)c1

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002078 Edit

Molecule Structure InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cl)c1cccc(C(=O)Cl)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002078
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2029    2.2069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426    2.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603    2.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    1.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497    3.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3532    3.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    4.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5719    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    0.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8787    4.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3242    4.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    5.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002078-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -4.0224    0.2063    0.0005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0223    0.2065   -0.0009 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468   -1.8946   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -1.8946    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    0.0807    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -0.6169    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    1.4756    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4754   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1730    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679   -0.6459   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -0.6460    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -1.7042    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    2.0628    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    3.2592    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2023-02-04, 1539👍, 0💬